Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | LHCGR | P22888 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4101634 | 0.94 | CYP19A1 (0.47) | SIGMAR1CYP19A1TBXAS1L3MBTL1 | |
| Oxalic Acid SCHEMBL4107668 | 0.93 | SIGMAR1 (0.43) | SIGMAR1CYP19A1TBXAS1HTR2C | |
| Oxalic Acid SCHEMBL4102628 | 0.89 | HTR2C (0.49) | SIGMAR1CYP19A1TBXAS1HTR2C | |
| Oxalic Acid SCHEMBL4108518 | 0.88 | SIGMAR1 (0.55) | SIGMAR1CYP19A1TBXAS1 | |
| Oxalic Acid SCHEMBL4107494 | 0.87 | DRD2 (0.45) | SIGMAR1CYP19A1TBXAS1LHCGR | |
| Oxalic Acid SCHEMBL4108924 | 0.87 | SIGMAR1 (0.48) | SIGMAR1CYP19A1TBXAS1HTR2C | |
| SCHEMBL4111011 | 0.87 | CYP19A1 (0.46) | SIGMAR1CYP19A1TBXAS1L3MBTL1 | |
| Oxalic Acid SCHEMBL4103987 | 0.85 | DRD2 (0.48) | SIGMAR1CYP19A1TBXAS1LHCGR | |
| SCHEMBL4106870 | 0.82 | CYP19A1 (0.49) | SIGMAR1CYP19A1TBXAS1HTR2C | |
| SCHEMBL4098226 | 0.82 | SIGMAR1 (0.60) | SIGMAR1CYP19A1TBXAS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8492563-B2 | 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-07-23 | — | — | US | claimed |
| US-20120238567-A1 | 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-09-20 | — | — | US | claimed |
| US-8227625-B2 | 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-07-24 | — | — | US | claimed |
| US-20090221572-A1 | 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-09-03 | — | — | US | claimed |
| EP-1996573-A1 | 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-12-03 | — | — | EP | claimed |
| WO-2007098961-A1 | 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-07 | — | — | WO | claimed |
| US-8492563-B2 | 4,5,6,7-tetrahydrobenzo[B]thiophene derivatives and their use as sigma receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-07-23 | — | — | US | disclosed |
| US-20120238567-A1 | 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-09-20 | — | — | US | disclosed |
| US-8227625-B2 | 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-07-24 | — | — | US | disclosed |
| US-20090221572-A1 | 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-09-03 | — | — | US | disclosed |
| EP-1996573-A1 | 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007098961-A1 | 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090221572-A1 | 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | SIGMAR1, TMEM97, OPRM1 | SIGMAR1 1/4885CYP19A1 1958/4885TBXAS1 1186/4885 |
| US-20120238567-A1 | 4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS | SIGMAR1, TMEM97, OPRM1 | SIGMAR1 1/4885CYP19A1 1958/4885TBXAS1 1186/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.